SCHEMBL29375488

SCHEMBL29375488

Oc1ncnc2[nH]c(C(F)(F)F)cc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 2/20 0.38
▸ CHUK O15111 2/20 0.38
▸ CIT O14578 1/20 0.36
▸ EGFR P00533 1/20 0.33
▸ CSNK1D P48730 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ CA2 P00918 1/20 0.32
▸ CHKA P35790 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ KIT P10721 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22502463 1.00 IKBKB (0.38) IKBKBCHUKCITEGFRCSNK1D
SCHEMBL15828666 0.82 IKBKB (0.38) IKBKBCHUKKIT
SCHEMBL22524176 0.80 RET (0.40) IKBKBCHUKCITEGFRCSNK1D
SCHEMBL30248822 0.80 RET (0.40) IKBKBCHUKCITEGFRCSNK1D
SCHEMBL17538627 0.79 CSNK1D (0.38) IKBKBCHUKCITEGFRCSNK1D
SCHEMBL22524383 0.75 IKBKB (0.33) IKBKBCHUKCITCSNK1DMAPK14
SCHEMBL22490018 0.75 CIT (0.38) IKBKBCHUKCITEGFRCSNK1D
SCHEMBL9048053 0.73 ABL1 (0.35) EGFRKIT
SCHEMBL3647958 0.72 TRPA1 (0.44) KIT
SCHEMBL22524214 0.68 SMN1; SMN2 (0.43) TP53HSD17B10KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3947390-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE Mitokinin, Inc. (US) 2022-02-09 — — EP disclosed
CN-114026093-A Compositions for treating neurodegenerative and mitochondrial diseases and methods of use thereof 麦托吉宁公司 2022-02-08 — — CN disclosed
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